* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    109    159     314
    1     0 S   NP   _N1_     1    29.05917    99.06439   -19.77337
    2     1 S   H    _HN1     2     1.02855    53.34317   123.50402
    3     1 S   H    _H1_     3     1.02796   104.22910  -134.75470
    4     1 S   H    _H2_     4     1.02946    57.60785   -32.03626
    5     1 S   CT   _CA1     5     1.50190   143.64449    48.86161
    6     5 S   HC   _HA1     6     1.09598   105.15144   115.86383
    7     5 S   CO3  _C1_     7     1.53798   111.60351    -3.75994
    8     7 S   O2Z  _O11     8     1.26284   115.30761   -62.22019
    9     7 S   O2Z  _O12     9     1.26291   114.82501   116.18856
   10     5 S   CT   _CB1    10     1.53068   107.25621  -126.83326
   11    10 S   HC   HB11    11     1.09852   109.37658   -50.47256
   12    10 S   HC   HB12    12     1.09799   110.51956    65.96077
   13    10 S   CT   _CG1    13     1.53103   112.69741  -171.33190
   14    13 S   HC   HG11    14     1.09481   110.65567   -65.32840
   15    13 S   HC   HG12    15     1.09635   109.85318    54.02179
   16    13 S   C    _CD1    16     1.51810   111.55714   174.91454
   17    16 S   O    _OE1    17     1.22867   122.92721    16.59924
   18    16 S   N    _N2_    18     1.38469   112.42401  -163.80896
   19    18 S   H    _HN2    19     1.01782   119.79529    -1.96662
   20    18 S   CT1  _CA2    20     1.45741   122.33359   179.44117
   21    20 S   HC   _HA2    21     1.09746   108.27791    38.08245
   22    20 S   C    _C2_    22     1.53117   107.57846   -79.19516
   23    22 S   O    _O2_    23     1.22972   123.24806   -26.94302
   24    20 S   CT   _CB2    32     1.53209   112.70257   161.22760
   25    24 S   HC   HB21    33     1.09428   110.13477    61.02724
   26    24 S   HC   HB22    34     1.09588   109.89199   177.86009
   27    22 S   N    _N3_    24     1.38554   112.44816   155.64326
   28    27 S   H    _HN3    25     1.01645   120.29296    -2.15912
   29    24 S   S    _SG2    35     1.83284   111.62207   -64.03595
   30    27 S   CT   _CA3    26     1.45326   122.50306   178.59667
   31    30 S   HC   HA31    27     1.09568   107.79862   -55.77367
   32    30 S   HC   HA32    28     1.09561   107.63234    60.56822
   33    29 S   CT   _C13    36     1.89061   102.46674   119.56609
   34    33 S   OM   _O34    37     1.31266   108.65454   -56.15067
   35    30 S   CO3  _C3_    29     1.52882   114.29956  -177.71561
   36    35 S   O2Z  _O31    30     1.26338   116.06925    -1.67433
   37    35 S   O2Z  _O32    31     1.26436   114.40947   178.32380
   38    33 S   CM   _C12    38     1.57576   105.75519   178.26935
   39    33 S   S    _S1_    60     1.88417   108.24990    61.74037
   40    38 S   CMA  _C11    39     1.38091   131.84062   114.55029
   41    40 S   OM   _O35    40     1.27340   126.31733   178.26190
   42    38 S   NE   _N4_    57     1.39692   111.90440   -65.49089
   43    42 S   H    _H12    58     1.01266   118.44845   179.42122
   44    42 S   H    _H13    59     1.01125   119.40036     0.65432
   45    39 S   CT   _C14    61     1.81497   100.91372   176.22644
   46    45 S   HC   _H9_    62     1.09366   108.51763   178.49585
   47    45 S   HC   _H10    63     1.09270   111.24762    59.87647
   48    45 S   HC   _H11    64     1.09235   111.08429   -63.05179
   49    40 S   CA   _C9_    41     1.49795   117.88769    -1.71646
   50    49 S   CA   _C8_    42     1.40478   118.77205   -85.78191
   51    50 S   HA   _H7_    43     1.08755   120.30363     1.35306
   52    50 S   CA   _C7_    44     1.39348   120.47541  -179.39059
   53    52 S   HA   _H6_    45     1.08568   119.10891  -179.35169
   54    52 S   CA   _C6_    46     1.39593   119.93103     0.44587
   55    54 S   CA   _C5_    47     1.40185   121.32048     1.61422
   56    54 S   OH   _O36    55     1.37031   119.53155  -178.46711
   57    56 S   HO   _H14    56     0.97676   109.02531     5.81655
   58    49 S   CA   _C10    48     1.41187   122.47209    96.84384
   59    55 S   CT   _C4_    51     1.50349   121.10767  -179.25087
   60    59 S   HC   _H3_    52     1.09439   109.86863    93.84060
   61    59 S   HC   _H4_    53     1.09499   111.17719  -145.39261
   62    59 S   HC   _H5_    54     1.09467   111.72568   -26.86760
   63    58 S   OH   _O33    49     1.37451   120.87144    -1.31105
   64    63 S   HO   _H8_    50     0.97279   108.12612     5.16608
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   2   1   1  10   6  11   4   3   1   1   3   2   1   1
  10   8   4   7   3   9   9   3   1   6   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    49    42    43    44    39    45    46    47    48  
   38    40    42    39    45  
   36    37  
   37  
    0  
   40    41    49    50    58    42    43    44    39    45  
   45    46    47    48    40    42  
   41    49    50    51    52    55    58    63    42    43    44  
   49    50    58    42  
   43    44    49  
   44  
    0  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    63    64    59  
   51    52    53    54    55    58    63    56  
   52    53    54    58  
   53    54    55    58    59    56    57  
   54    55    56  
   55    58    63    59    60    61    62    56    57  
   58    63    64    59    60    61    62    56    57  
   57    58    59  
    0  
   63    64    59    60    61    62  
   60    61    62    63  
   61    62  
   62  
    0  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   222.000  1.810
   38    40   465.000  1.376
   38    42   425.000  1.378
   40    41   745.000  1.250
   40    49   320.000  1.460
   49    50   469.000  1.400
   49    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    56   450.000  1.364
   55    58   469.000  1.400
   55    59   317.000  1.510
   58    63   450.000  1.364
   63    64   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   56    57   553.000  0.945
   42    43   434.000  1.010
   42    44   434.000  1.010
   39    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  118.28000
   33    38    40    70.00000  124.00000
   33    38    42    75.00000  116.24600
   33    39    45    62.00000   98.90000
   38    33    34    85.00000  110.90400
   38    40    41    65.00000  137.10300
   38    40    49    60.00000  123.20500
   38    42    43    35.00000  114.50000
   38    42    44    35.00000  114.50000
   40    49    50    60.00000  120.93500
   40    49    58    60.00000  120.93500
   49    40    41    85.00000  114.86500
   49    50    51    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    58    55    63.00000  120.00000
   49    58    63    70.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    56    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    55    59    70.00000  120.00000
   54    56    57    35.00000  113.00000
   55    58    63    70.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   58    49    50    63.00000  120.00000
   58    63    64    35.00000  113.00000
   59    55    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   56    54    55    70.00000  120.00000
   42    38    40    70.00000  124.03900
   44    42    43    35.00000  109.00000
   39    33    34    85.00000  114.68000
   39    33    38    75.00000  112.20000
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   29    33    39    45   0.08500  1.0 1.0
   29    33    39    45  -0.53150 -1.0 2.0
   29    33    39    45   0.48050  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    49   7.00000 -1.0 2.0
   33    38    42    43   2.40850 -1.0 2.0
   33    38    42    44   2.40850 -1.0 2.0
   33    39    45    46   0.32350  1.0 3.0
   33    39    45    47   0.32350  1.0 3.0
   33    39    45    48   0.32350  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    38    42   0.09700  1.0 1.0
   34    33    38    42   0.15600 -1.0 2.0
   34    33    38    42  -0.50800  1.0 3.0
   34    33    39    45   0.13850  1.0 1.0
   34    33    39    45  -1.34450 -1.0 2.0
   34    33    39    45   0.57400  1.0 3.0
   38    33    39    45  -0.62250  1.0 1.0
   38    33    39    45  -0.38450 -1.0 2.0
   38    33    39    45   0.81900  1.0 3.0
   38    40    49    50   0.15800  1.0 1.0
   38    40    49    50   1.85350 -1.0 2.0
   38    40    49    50  -0.48700  1.0 3.0
   38    40    49    58   0.15800  1.0 1.0
   38    40    49    58   1.85350 -1.0 2.0
   38    40    49    58  -0.48700  1.0 3.0
   40    38    42    43   1.00000 -1.0 2.0
   40    38    42    44   1.00000 -1.0 2.0
   40    49    50    51   3.62500 -1.0 2.0
   40    49    50    52   3.62500 -1.0 2.0
   40    49    58    55   3.62500 -1.0 2.0
   40    49    58    63   3.62500 -1.0 2.0
   41    40    49    50  -0.01750  1.0 1.0
   41    40    49    50  -0.32000 -1.0 2.0
   41    40    49    50   0.00600  1.0 3.0
   41    40    49    58  -0.01750  1.0 1.0
   41    40    49    58  -0.32000 -1.0 2.0
   41    40    49    58   0.00600  1.0 3.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    54   3.62500 -1.0 2.0
   49    58    63    64   0.84100 -1.0 2.0
   50    49    58    55   3.62500 -1.0 2.0
   50    49    58    63   3.62500 -1.0 2.0
   50    52   -54    55   3.62500 -1.0 2.0
   50    52    54    56   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    58   3.62500 -1.0 2.0
   52    54    55    59   3.62500 -1.0 2.0
   52    54    56    57   0.84100 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    55   -58    49   3.62500 -1.0 2.0
   54    55    58    63   3.62500 -1.0 2.0
   54    55    59    60   0.00000  1.0 1.0
   54    55    59    61   0.00000  1.0 1.0
   54    55    59    62   0.00000  1.0 1.0
   55    54    56    57   0.84100 -1.0 2.0
   55    58    63    64   0.84100 -1.0 2.0
   58    49    50    51   3.62500 -1.0 2.0
   58    49   -50    52   3.62500 -1.0 2.0
   58    55    59    60   0.00000  1.0 1.0
   58    55    59    61   0.00000  1.0 1.0
   58    55    59    62   0.00000  1.0 1.0
   59    55    58    49   3.62500 -1.0 2.0
   59    55    58    63   3.62500 -1.0 2.0
   56    54    55    58   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    49   7.00000 -1.0 2.0
   39    33    38    40   0.42700  1.0 1.0
   39    33    38    40  -0.70350 -1.0 2.0
   39    33    38    40  -0.43150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   49    41    40    38  15.00000 -1.0 2.0
   50    58    49    40   4.00000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    56    54    52   4.00000 -1.0 2.0
   58    59    55    54   4.00000 -1.0 2.0
   55    63    58    49   4.00000 -1.0 2.0
   44    38    42    43   1.00000 -1.0 2.0
END
